flow_filelinking.yaml0000644000000000000000000000000314746721117013765 0ustar rootroot[] job_dag.html0000644000000000000000000000223214746721377012050 0ustar rootroot 
flowchart TB
    subgraph " "
    v0["Channel.fromPath"]
    end
    v1([prepData])
    v2([searchFASST])
    subgraph " "
    v3[" "]
    end
    v0 --> v1
    v1 --> v2
    v2 --> v3
job_parameters.yaml0000644000000000000000000000662314746721117013456 0ustar rootrootOMETAFLOW_SERVER: http://ometaflow-launchserver:4000 OMETALIBRARY_SERVER: http://ometalibrary-web:5000/library OMETAMASST_SERVER: http://ometamasst-web:5000/masst OMETATASK: 25d153f0abf0466ca1f8a953a5398f48 OMETAUSER: rosen8 analog: 'Yes' cosine: '0.7' create_time: 2025-01-30 08:03:42 PST-0800 database: metabolomicspanrepo_index_latest description: Kurstakin analogs MASST search_PublicSingleSpectra_PanrepoLatest entrymode: form fragment_tolerance: '0.02' precursor_tolerance: '0.02' publishdir: /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48 task: 25d153f0abf0466ca1f8a953a5398f48 usi: "mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R1 Raw/P1R1B1.mzML:scan:1778\r\nmzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5514\r\ \nmzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1895\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R1 Raw/P1R1B1.mzML:scan:1922\r\nmzspec:MSV000080922:ccms_peak/mzXML/Plate A/Samples/Cave_Bacteria_Plate1_RB1_01_19343.mzXML:scan:1013\r\ \nmzspec:MSV000089255:ccms_peak/K562_WT_noTri_rep1_P1-A-8_01_8071.mzML:scan:2652\r\ \nmzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:2024\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R2 Raw/P1R2B1.mzML:scan:1943\r\nmzspec:MSV000095439:peak/mzML/JLW8_MINUS.mzML:scan:5332\r\ \nmzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5424\r\nmzspec:MSV000095664:peak/mzML/Bc1047_TTC_03_HCD.mzML:scan:2655\r\ \nmzspec:MSV000095664:peak/mzML/T+T1047_6.mzML:scan:2711\r\nmzspec:MSV000080922:ccms_peak/mzXML/Plate\ \ A/Samples/Cave_Bacteria_Plate1_RB1_01_19343.mzXML:scan:1072\r\nmzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5173\r\ \nmzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1789\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R1 Raw/P1R1B1.mzML:scan:1913\r\nmzspec:MSV000095439:peak/mzML/JLW8_MINUS.mzML:scan:5046\r\ \nmzspec:MSV000095664:peak/mzML/Bc1047_TTC_06_HCD.mzML:scan:2562\r\nmzspec:MSV000095664:peak/mzML/T+T1047_2.mzML:scan:2713\r\ \nmzspec:MSV000095664:peak/mzML/Bc1047_TTC_01_HCD.mzML:scan:2636\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R1 Raw/P1R1B1.mzML:scan:1909\r\nmzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1988\r\ \nmzspec:MSV000088196:peak/ORNL R2 mzML/P1R2B1.mzML:scan:1842\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R1 Raw/P1R1E9.mzML:scan:2013\r\nmzspec:MSV000080922:ccms_peak/mzXML/Plate A/Samples/Cave_Bacteria_Plate1_RA4_01_19330.mzXML:scan:1087\r\ \nmzspec:MSV000080922:ccms_peak/mzXML/Plate A/Samples/Cave_Bacteria_Plate1_RC4_01_19362.mzXML:scan:1111\r\ \nmzspec:MSV000080922:ccms_peak/mzXML/Plate B/Samples/Cave_Bacteria_Plate2_BE9_01_19529.mzXML:scan:1067\r\ \nmzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:2013\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R1 Raw/P1R1B1.mzML:scan:2041\r\nmzspec:MSV000088196:ccms_peak/ORNL R2 Raw/P1R2B1.mzML:scan:1931\r\ \nmzspec:MSV000089255:ccms_peak/J2315_khmgA_noTri_rep2_P1-C-9_01_8103.mzML:scan:3185\r\ \nmzspec:MSV000095664:peak/mzML/Bc1047_TTC_01_HCD.mzML:scan:2681\r\nmzspec:MSV000095664:peak/mzML/Bc1047_TTC_04_HCD.mzML:scan:2640\r\ \nmzspec:MSV000095664:peak/mzML/Bc1047_TTC_06_HCD.mzML:scan:2609\r\nmzspec:MSV000088196:updates/2021-10-07_amcaraballor_edffce1d/peak/ORNL\ \ R3 mzML/P1R3D4.mzML:scan:1954\r\nmzspec:MSV000088196:peak/ORNL R1 mzML/P1R1B1.mzML:scan:1976" usi_file: NO_FILE workflow_version: SERVER:2025.01.28;WORKFLOW:2014.10.09 workflowname: fasst_batch_workflow job_report.html0000644000000000000000001313645114746721377012647 0ustar rootroot [friendly_koch] Nextflow Workflow Report

Nextflow workflow report

[friendly_koch]

Workflow execution completed successfully!
Run times
30-Jan-2025 16:03:46 - 30-Jan-2025 16:06:38 (duration: 2m 53s)
  2 succeeded  
  0 cached  
  0 ignored  
  0 failed  
Nextflow command
nextflow run /app/workflows_user/fasst_batch_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48/job_parameters.yaml -w /data/nf_data/server/nf_work/25d153f0abf0466ca1f8a953a5398f48 -with-report /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48/job_report.html -with-timeline /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48/job_dag.html -with-weblog 'http://localhost:4000/nf_weblog/25d153f0abf0466ca1f8a953a5398f48' -c /app/launchserver/nextflow.config
CPU-Hours
(a few seconds)
Launch directory
/data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48
Work directory
/data/nf_data/server/nf_work/25d153f0abf0466ca1f8a953a5398f48
Project directory
/app/workflows_user/fasst_batch_workflow
Script name
nf_workflow.nf
Script ID
458f1dc14e0d06e4bff38d7986b57c1e
Workflow session
7115a9ab-147d-47eb-a846-52ecb8ed1dc4
Workflow profile
standard
Nextflow version
version 24.04.4, build 5917 (01-08-2024 07:05 UTC)

Resource Usage

These plots give an overview of the distribution of resource usage for each process.

CPU

Memory

Job Duration

I/O

Tasks

This table shows information about each task in the workflow. Use the search box on the right to filter rows for specific values. Clicking headers will sort the table by that value and scrolling side to side will reveal more columns.

(tasks table omitted because the dataset is too big)
job_timeline.html0000644000000000000000000075450414746721377013143 0ustar rootroot

Processes execution timeline

Launch time:
Elapsed time:
Legend: job wall time / memory usage (RAM)

nextflow_stdout.log0000644000000000000000000000166014746721377013554 0ustar rootroot N E X T F L O W ~ version 24.04.4 Launching `/app/workflows_user/fasst_batch_workflow/nf_workflow.nf` [friendly_koch] DSL2 - revision: 458f1dc14e WARN: java.net.ConnectException: Connection refused [- ] prepData - [- ] searchFASST - executor > local (1) [8c/01d77d] prepData (1) | 0 of 1 [- ] searchFASST - executor > local (1) [8c/01d77d] prepData (1) | 0 of 1 [- ] searchFASST - executor > local (2) [8c/01d77d] prepData (1) | 1 of 1 ✔ [ca/d2a9c1] searchFASST (1) | 0 of 1 executor > local (2) [8c/01d77d] prepData (1) | 1 of 1 ✔ [ca/d2a9c1] searchFASST (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused executor > local (2) [8c/01d77d] prepData (1) | 1 of 1 ✔ [ca/d2a9c1] searchFASST (1) | 1 of 1 ✔ WARN: java.net.ConnectException: Connection refused Completed at: 30-Jan-2025 16:06:39 Duration : 2m 53s CPU hours : (a few seconds) Succeeded : 2 nf_cmd.sh0000644000000000000000000000115214746721117011347 0ustar rootrootnextflow run /app/workflows_user/fasst_batch_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48/job_parameters.yaml -w /data/nf_data/server/nf_work/25d153f0abf0466ca1f8a953a5398f48 -with-report /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48/job_report.html -with-timeline /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48/job_dag.html -with-weblog http://localhost:4000/nf_weblog/25d153f0abf0466ca1f8a953a5398f48 -c /app/launchserver/nextflow.confignf_output/0000755000000000000000000000000014746721377011621 5ustar rootrootnf_output/usi_to_search.tsv0000644000000000000000000000562014746721125015200 0ustar rootrootusi flag mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1778 usi_entry mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5514 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1895 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1922 usi_entry mzspec:MSV000080922:ccms_peak/mzXML/Plate A/Samples/Cave_Bacteria_Plate1_RB1_01_19343.mzXML:scan:1013 usi_entry mzspec:MSV000089255:ccms_peak/K562_WT_noTri_rep1_P1-A-8_01_8071.mzML:scan:2652 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:2024 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R2 Raw/P1R2B1.mzML:scan:1943 usi_entry mzspec:MSV000095439:peak/mzML/JLW8_MINUS.mzML:scan:5332 usi_entry mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5424 usi_entry mzspec:MSV000095664:peak/mzML/Bc1047_TTC_03_HCD.mzML:scan:2655 usi_entry mzspec:MSV000095664:peak/mzML/T+T1047_6.mzML:scan:2711 usi_entry mzspec:MSV000080922:ccms_peak/mzXML/Plate A/Samples/Cave_Bacteria_Plate1_RB1_01_19343.mzXML:scan:1072 usi_entry mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5173 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1789 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1913 usi_entry mzspec:MSV000095439:peak/mzML/JLW8_MINUS.mzML:scan:5046 usi_entry mzspec:MSV000095664:peak/mzML/Bc1047_TTC_06_HCD.mzML:scan:2562 usi_entry mzspec:MSV000095664:peak/mzML/T+T1047_2.mzML:scan:2713 usi_entry mzspec:MSV000095664:peak/mzML/Bc1047_TTC_01_HCD.mzML:scan:2636 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1909 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1988 usi_entry mzspec:MSV000088196:peak/ORNL R2 mzML/P1R2B1.mzML:scan:1842 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1E9.mzML:scan:2013 usi_entry mzspec:MSV000080922:ccms_peak/mzXML/Plate A/Samples/Cave_Bacteria_Plate1_RA4_01_19330.mzXML:scan:1087 usi_entry mzspec:MSV000080922:ccms_peak/mzXML/Plate A/Samples/Cave_Bacteria_Plate1_RC4_01_19362.mzXML:scan:1111 usi_entry mzspec:MSV000080922:ccms_peak/mzXML/Plate B/Samples/Cave_Bacteria_Plate2_BE9_01_19529.mzXML:scan:1067 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:2013 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:2041 usi_entry mzspec:MSV000088196:ccms_peak/ORNL R2 Raw/P1R2B1.mzML:scan:1931 usi_entry mzspec:MSV000089255:ccms_peak/J2315_khmgA_noTri_rep2_P1-C-9_01_8103.mzML:scan:3185 usi_entry mzspec:MSV000095664:peak/mzML/Bc1047_TTC_01_HCD.mzML:scan:2681 usi_entry mzspec:MSV000095664:peak/mzML/Bc1047_TTC_04_HCD.mzML:scan:2640 usi_entry mzspec:MSV000095664:peak/mzML/Bc1047_TTC_06_HCD.mzML:scan:2609 usi_entry mzspec:MSV000088196:updates/2021-10-07_amcaraballor_edffce1d/peak/ORNL R3 mzML/P1R3D4.mzML:scan:1954 usi_entry mzspec:MSV000088196:peak/ORNL R1 mzML/P1R1B1.mzML:scan:1976 usi_entry nf_output/output.tsv0000644000000000000000000345212314746721377013731 0ustar rootrootDelta Mass USI Charge Cosine Matching Peaks Unit Delta Mass Dataset Status Query Filename Query Scan Index UnitPM Index IdxInUnitPM Filtered Input Spectrum Path query_usi flag 0.0 mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491 1 1.0 23 0 MSV000095439 NoID temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/13c9bee9b7cc4035a7e464ac1d5d746a.mgf 1 867 255589 temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/0.json mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491 -14.02 mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5514 1 0.96 21 -14 MSV000095439 NoID temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/13c9bee9b7cc4035a7e464ac1d5d746a.mgf 1 881 261872 temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/0.json mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491 -39.01 mzspec:MSV000095439:peak/mzML/JLW8_MINUS.mzML:scan:5332 1 0.94 20 -39 MSV000095439 NoID temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/13c9bee9b7cc4035a7e464ac1d5d746a.mgf 1 906 376960 temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/0.json mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491 -58.0 mzspec:MSV000093329:peak/mzML/PLT8_TSA_E1.mzML:scan:1795 1 0.93 21 -58 MSV000093329 NoID temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/13c9bee9b7cc4035a7e464ac1d5d746a.mgf 1 925 125911 temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/0.json mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491 -72.02 mzspec:MSV000093329:peak/mzML/PLT8_TSA_E1.mzML:scan:1794 1 0.92 20 -72 MSV000093329 NoID temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/13c9bee9b7cc4035a7e464ac1d5d746a.mgf 1 939 122135 temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/0.json mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491 -58.01 mzspec:MSV000093329:peak/mzML/PLT8_TSA_E1.mzML:scan:1760 1 0.91 21 -58 MSV000093329 NoID temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/13c9bee9b7cc4035a7e464ac1d5d746a.mgf 1 925 125907 temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/0.json mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491 -58.01 mzspec:MSV000093329:peak/mzML/PLT8_TSA_E1.mzML:scan:1815 1 0.91 20 -58 MSV000093329 NoID temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/13c9bee9b7cc4035a7e464ac1d5d746a.mgf 1 925 125912 temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/0.json mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491 -72.02 mzspec:MSV000093329:peak/mzML/PLT8_TSA_E1.mzML:scan:1820 1 0.91 20 -72 MSV000093329 NoID temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/13c9bee9b7cc4035a7e464ac1d5d746a.mgf 1 939 122137 temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/0.json mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491 -57.02 mzspec:MSV000095664:peak/mzML/Bc1047_TTC_05_HCD.mzML:scan:2652 1 0.9 20 -57 MSV000095664 NoID temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/13c9bee9b7cc4035a7e464ac1d5d746a.mgf 1 924 257269 temp/queries/13/13c9bee9b7cc4035a7e464ac1d5d746a/0.json mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491 -72.02 mzspec:MSV000093329:peak/mzML/PLT8_ISP2_E1.mzML:scan:2047 1 0.9 20 -72 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0.87 18 73 MSV000088196 NoID temp/queries/66/661a6aeabb724b2b9fd074cdbe7da252/661a6aeabb724b2b9fd074cdbe7da252.mgf 1 925 210870 temp/queries/66/661a6aeabb724b2b9fd074cdbe7da252/0.json mzspec:MSV000088196:peak/ORNL R1 mzML/P1R1B1.mzML:scan:1976 usi_entry 74.04 mzspec:MSV000088196:peak/ORNL R2 mzML/P1R2B1.mzML:scan:1911 1 0.86 18 74 MSV000088196 NoID temp/queries/66/661a6aeabb724b2b9fd074cdbe7da252/661a6aeabb724b2b9fd074cdbe7da252.mgf 1 924 443953 temp/queries/66/661a6aeabb724b2b9fd074cdbe7da252/0.json mzspec:MSV000088196:peak/ORNL R1 mzML/P1R1B1.mzML:scan:1976 usi_entry 74.04 mzspec:MSV000095664:peak/mzML/Bc1047_TTC_04_HCD.mzML:scan:2621 1 0.81 17 74 MSV000095664 NoID temp/queries/66/661a6aeabb724b2b9fd074cdbe7da252/661a6aeabb724b2b9fd074cdbe7da252.mgf 1 924 257399 temp/queries/66/661a6aeabb724b2b9fd074cdbe7da252/0.json mzspec:MSV000088196:peak/ORNL R1 mzML/P1R1B1.mzML:scan:1976 usi_entry nf_resume_cmd.sh0000644000000000000000000000116214746721117012730 0ustar rootrootnextflow run /app/workflows_user/fasst_batch_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48/job_parameters.yaml -w /data/nf_data/server/nf_work/25d153f0abf0466ca1f8a953a5398f48 -with-report /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48/job_report.html -with-timeline /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/25d153f0abf0466ca1f8a953a5398f48/job_dag.html -resume -with-weblog http://localhost:4000/nf_weblog/25d153f0abf0466ca1f8a953a5398f48 -c /app/launchserver/nextflow.configsubmission_parameters.yaml0000644000000000000000000000614214746721117015073 0ustar rootrootanalog: 'Yes' cosine: '0.7' create_time: 2025-01-30 08:03:42 PST-0800 database: metabolomicspanrepo_index_latest description: Kurstakin analogs MASST search_PublicSingleSpectra_PanrepoLatest entrymode: form fragment_tolerance: '0.02' precursor_tolerance: '0.02' task: 25d153f0abf0466ca1f8a953a5398f48 usi: "mzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5491\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R1 Raw/P1R1B1.mzML:scan:1778\r\nmzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5514\r\ \nmzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1895\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R1 Raw/P1R1B1.mzML:scan:1922\r\nmzspec:MSV000080922:ccms_peak/mzXML/Plate A/Samples/Cave_Bacteria_Plate1_RB1_01_19343.mzXML:scan:1013\r\ \nmzspec:MSV000089255:ccms_peak/K562_WT_noTri_rep1_P1-A-8_01_8071.mzML:scan:2652\r\ \nmzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:2024\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R2 Raw/P1R2B1.mzML:scan:1943\r\nmzspec:MSV000095439:peak/mzML/JLW8_MINUS.mzML:scan:5332\r\ \nmzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5424\r\nmzspec:MSV000095664:peak/mzML/Bc1047_TTC_03_HCD.mzML:scan:2655\r\ \nmzspec:MSV000095664:peak/mzML/T+T1047_6.mzML:scan:2711\r\nmzspec:MSV000080922:ccms_peak/mzXML/Plate\ \ A/Samples/Cave_Bacteria_Plate1_RB1_01_19343.mzXML:scan:1072\r\nmzspec:MSV000095439:peak/mzML/JLW8_PLUS.mzML:scan:5173\r\ \nmzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1789\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R1 Raw/P1R1B1.mzML:scan:1913\r\nmzspec:MSV000095439:peak/mzML/JLW8_MINUS.mzML:scan:5046\r\ \nmzspec:MSV000095664:peak/mzML/Bc1047_TTC_06_HCD.mzML:scan:2562\r\nmzspec:MSV000095664:peak/mzML/T+T1047_2.mzML:scan:2713\r\ \nmzspec:MSV000095664:peak/mzML/Bc1047_TTC_01_HCD.mzML:scan:2636\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R1 Raw/P1R1B1.mzML:scan:1909\r\nmzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:1988\r\ \nmzspec:MSV000088196:peak/ORNL R2 mzML/P1R2B1.mzML:scan:1842\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R1 Raw/P1R1E9.mzML:scan:2013\r\nmzspec:MSV000080922:ccms_peak/mzXML/Plate A/Samples/Cave_Bacteria_Plate1_RA4_01_19330.mzXML:scan:1087\r\ \nmzspec:MSV000080922:ccms_peak/mzXML/Plate A/Samples/Cave_Bacteria_Plate1_RC4_01_19362.mzXML:scan:1111\r\ \nmzspec:MSV000080922:ccms_peak/mzXML/Plate B/Samples/Cave_Bacteria_Plate2_BE9_01_19529.mzXML:scan:1067\r\ \nmzspec:MSV000088196:ccms_peak/ORNL R1 Raw/P1R1B1.mzML:scan:2013\r\nmzspec:MSV000088196:ccms_peak/ORNL\ \ R1 Raw/P1R1B1.mzML:scan:2041\r\nmzspec:MSV000088196:ccms_peak/ORNL R2 Raw/P1R2B1.mzML:scan:1931\r\ \nmzspec:MSV000089255:ccms_peak/J2315_khmgA_noTri_rep2_P1-C-9_01_8103.mzML:scan:3185\r\ \nmzspec:MSV000095664:peak/mzML/Bc1047_TTC_01_HCD.mzML:scan:2681\r\nmzspec:MSV000095664:peak/mzML/Bc1047_TTC_04_HCD.mzML:scan:2640\r\ \nmzspec:MSV000095664:peak/mzML/Bc1047_TTC_06_HCD.mzML:scan:2609\r\nmzspec:MSV000088196:updates/2021-10-07_amcaraballor_edffce1d/peak/ORNL\ \ R3 mzML/P1R3D4.mzML:scan:1954\r\nmzspec:MSV000088196:peak/ORNL R1 mzML/P1R1B1.mzML:scan:1976" usi_file: '' workflow_version: SERVER:2025.01.28;WORKFLOW:2014.10.09 workflowname: fasst_batch_workflow usi_file/0000755000000000000000000000000014746721117011365 5ustar rootrootworkflowdisplay.yaml0000644000000000000000000000176014746721117013716 0ustar rootrootname: fasst_batch_workflow displayname: STUFF Views: - name: Summary List displayname: Summary List viewname: summarylist displaytype: datatable_serverbig parameters: filename: nf_output/output.tsv columns: - title: "View" data: - title: "DB USI" data: USI - title: "query_usi" data: query_usi - title: "flag" data: flag - title: "Dataset" data: Dataset - title: "Cosine" data: Cosine - title: "Delta Mass" data: "Delta Mass" columnDefs: '[ {"targets": 0,"data": null,"render": function ( data, type, row, meta ) { return ` View Match `;}}]'